Search found 2 matches

by Laurent.Binet
Mon May 27, 2024 2:26 am
Forum: General forum
Topic: Specifying nuclei in Easyspin for a biradical
Replies: 6
Views: 692

Re: Specifying nuclei in Easyspin for a biradical

Thanks so much Thanasis. It helped.

Laurent

by Laurent.Binet
Fri May 24, 2024 6:06 am
Forum: General forum
Topic: Specifying nuclei in Easyspin for a biradical
Replies: 6
Views: 692

Specifying nuclei in Easyspin for a biradical

I am a bit confused about how to specify the nuclei and corresponding hyperfine constants in Easyspin for a biradical where each of the two electrons interacts with its own set of nuclei. How should I write the Sys.Nucs and Sys.A variables so as to specify nuclei interacting with electron 1 and nucl...